1-(2-chlorophenyl)propyl carbamate

C10H12ClNO2 — CID 15534

IUPAC1-(2-chlorophenyl)propyl carbamate
SMILESCCC(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-2-9(14-10(12)13)7-5-3-4-6-8(7)11/h3-6,9H,2H2,1H3,(H2,12,13)
InChIKeyVCZXDPUECVELRF-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-chlorophenyl)propyl carbamate

1-(2-chlorophenyl)propyl carbamate (PubChem CID 15534) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(2-chlorophenyl)propyl carbamate.

Molecular Properties

Compound Name1-(2-chlorophenyl)propyl carbamate
PubChem CID15534
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(2-chlorophenyl)propyl carbamate
SMILESCCC(OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-2-9(14-10(12)13)7-5-3-4-6-8(7)11/h3-6,9H,2H2,1H3,(H2,12,13)
InChIKeyVCZXDPUECVELRF-UHFFFAOYSA-N
XLogP2.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)propyl carbamate?
The IUPAC name of 1-(2-chlorophenyl)propyl carbamate (CID 15534) is 1-(2-chlorophenyl)propyl carbamate.
What is the SMILES notation for 1-(2-chlorophenyl)propyl carbamate?
The canonical SMILES for 1-(2-chlorophenyl)propyl carbamate is CCC(OC(N)=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)propyl carbamate?
The InChIKey is VCZXDPUECVELRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-2-9(14-10(12)13)7-5-3-4-6-8(7)11/h3-6,9H,2H2,1H3,(H2,12,13).
What are the key properties of 1-(2-chlorophenyl)propyl carbamate?
1-(2-chlorophenyl)propyl carbamate has a molecular weight of 213.66 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)propyl carbamate is sourced from PubChem (CID 15534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).